smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1([O-])[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	ZINC000026376931	717114160	/nfs/dbraw/zinc/11/41/60/717114160.db2.gz	PWEIYAHDNBDGAL-SFJPZXRQSA-N	-2	0	203.194	0.021	1	30		BCEFRL
C#CCCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000103209315	188051463	/nfs/dbraw/zinc/05/14/63/188051463.db2.gz	GYFWQGOZWDTPGX-UHFFFAOYSA-N	-3	0	230.049	0.236	1	30	in-vitro	BCEFRL
C=C(C(=O)[O-])[C@@H]1C=C(C(=O)[O-])C=C[C@@H]1O	ZINC000069488972	574416564	/nfs/dbraw/zinc/41/65/64/574416564.db2.gz	QGWRKTRTGFVLFP-YUMQZZPRSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C=C(C(=O)[O-])[C@H]1C=CC=C(C(=O)[O-])[C@@H]1O	ZINC000069488973	574416550	/nfs/dbraw/zinc/41/65/50/574416550.db2.gz	DSZOEKMQGIURKG-HTRCEHHLSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C=C(C(=O)[O-])[C@H]1C=C(C(=O)[O-])C=C[C@H]1O	ZINC000069488965	574416560	/nfs/dbraw/zinc/41/65/60/574416560.db2.gz	QGWRKTRTGFVLFP-HTQZYQBOSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
N#CC[C@H]1C[C@H]2O[C@@H]1[C@@H](C(=O)[O-])[C@@H]2C(=O)[O-]	ZINC000169365951	181045588	/nfs/dbraw/zinc/04/55/88/181045588.db2.gz	BOQFUAFLFCHLMJ-SHGPDSBTSA-N	-2	0	225.200	0.089	1	30		BCEFRL
C=CCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000013491788	560217603	/nfs/dbraw/zinc/21/76/03/560217603.db2.gz	HGLAYHSJJRYIBI-UHFFFAOYSA-N	-3	0	218.038	0.399	1	30	in-vitro	BCEFRL
C=C(C(=O)[O-])[C@H]1C=CC=C(C(=O)[O-])[C@H]1O	ZINC000069488978	574416577	/nfs/dbraw/zinc/41/65/77/574416577.db2.gz	DSZOEKMQGIURKG-SVRRBLITSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C#CCCCO[P@](=O)([O-])OP(=O)([O-])[O-]	ZINC000103209318	187363847	/nfs/dbraw/zinc/36/38/47/187363847.db2.gz	MAMOYRXKVYWSPW-UHFFFAOYSA-N	-2	0	244.076	0.626	1	30		BCEFRL
C=C(C(=O)[O-])[C@@H]1C=C(C(=O)[O-])C=C[C@H]1O	ZINC000069488968	571780049	/nfs/dbraw/zinc/78/00/49/571780049.db2.gz	QGWRKTRTGFVLFP-JGVFFNPUSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C=C(C(=O)[O-])[C@H]1C=C(C(=O)[O-])C=C[C@@H]1O	ZINC000069488970	574416556	/nfs/dbraw/zinc/41/65/56/574416556.db2.gz	QGWRKTRTGFVLFP-SFYZADRCSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C[N@@+]1([O-])[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	ZINC000253704736	717168364	/nfs/dbraw/zinc/16/83/64/717168364.db2.gz	PWEIYAHDNBDGAL-GJVVYLMISA-N	-2	0	203.194	0.021	1	30		BCEFRL
CC(C(=O)CC(=O)[O-])=C(Cl)C(=O)[O-]	ZINC000013514520	560218138	/nfs/dbraw/zinc/21/81/38/560218138.db2.gz	DIVQZDMOIKAXFC-ZZXKWVIFSA-N	-2	0	206.581	0.628	1	30	in-vitro	BCEFRL
O=C([O-])CCC(=O)NC(CS)C(=O)[O-]	ZINC000069488794	574416507	/nfs/dbraw/zinc/41/65/07/574416507.db2.gz	PLMMAGRJIVDNSL-UHFFFAOYSA-N	-2	0	221.234	0.182	1	30	endogenous,in-vitro	BCEFRL
C=C(C(=O)[O-])[C@@H]1C=CC=C(C(=O)[O-])[C@@H]1O	ZINC000069488975	574416580	/nfs/dbraw/zinc/41/65/80/574416580.db2.gz	DSZOEKMQGIURKG-POYBYMJQSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C=C(C(=O)[O-])[C@@H]1C=CC=C(C(=O)[O-])[C@H]1O	ZINC000069488980	574416581	/nfs/dbraw/zinc/41/65/81/574416581.db2.gz	DSZOEKMQGIURKG-XPUUQOCRSA-N	-2	0	210.185	0.185	1	30	endogenous,in-vitro	BCEFRL
C[N@+]1([O-])[C@@H](C(=O)[O-])CCC[C@H]1C(=O)[O-]	ZINC000253704744	717168151	/nfs/dbraw/zinc/16/81/51/717168151.db2.gz	PWEIYAHDNBDGAL-KPCSLPGQSA-N	-2	0	203.194	0.021	1	30		BCEFRL
Cc1c(C#N)c(=O)[n-]c([O-])c1CN1CCOCC1	ZINC000082312116	188138857	/nfs/dbraw/zinc/13/88/57/188138857.db2.gz	SWDRCWYJKXAIFB-UHFFFAOYSA-N	-2	0	249.270	0.093	1	30		BCEFRL
O=C([O-])CC(=O)C(Cl)=C(Cl)C(=O)[O-]	ZINC000013509906	560217864	/nfs/dbraw/zinc/21/78/64/560217864.db2.gz	VCACEESBWIUFFZ-SNAWJCMRSA-N	-2	0	226.999	0.804	1	30	in-vitro	BCEFRL